1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

C19H21N5O — CID 146142173

IUPAC1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESO=C(NCc1ccc2cn[nH]c2c1)NCC1Cc2ccccc2CN1
InChIInChI=1S/C19H21N5O/c25-19(21-9-13-5-6-16-11-23-24-18(16)7-13)22-12-17-8-14-3-1-2-4-15(14)10-20-17/h1-7,11,17,20H,8-10,12H2,(H,23,24)(H2,21,22,25)
InChIKeyUDONZOJBCSKWLM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.08
Rot. Bonds4

About 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (PubChem CID 146142173) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
PubChem CID146142173
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESO=C(NCc1ccc2cn[nH]c2c1)NCC1Cc2ccccc2CN1
InChIInChI=1S/C19H21N5O/c25-19(21-9-13-5-6-16-11-23-24-18(16)7-13)22-12-17-8-14-3-1-2-4-15(14)10-20-17/h1-7,11,17,20H,8-10,12H2,(H,23,24)(H2,21,22,25)
InChIKeyUDONZOJBCSKWLM-UHFFFAOYSA-N
XLogP2.08
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea with MolForge

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Related Compounds

1-[[3-(1,3-dioxolan-2-yl)phenyl]methyl]-3-(1H-indazol-6-ylmethyl)urea
CID 166285787
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 135213793
1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 167778484
1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512992
4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
CID 120961737
N-(piperidin-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905604
N-(1H-indazol-6-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114803
N-[2-(1H-indazol-6-yl)ethyl]cyclopentanecarboxamide
CID 155945475
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 146092570
1-[(2R)-1-(1-benzothiophen-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512989

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The IUPAC name of 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (CID 146142173) is 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.
What is the SMILES notation for 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The canonical SMILES for 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is O=C(NCc1ccc2cn[nH]c2c1)NCC1Cc2ccccc2CN1.
What is the InChIKey of 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The InChIKey is UDONZOJBCSKWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(21-9-13-5-6-16-11-23-24-18(16)7-13)22-12-17-8-14-3-1-2-4-15(14)10-20-17/h1-7,11,17,20H,8-10,12H2,(H,23,24)(H2,21,22,25).
What are the key properties of 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea has a molecular weight of 335.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-ylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is sourced from PubChem (CID 146142173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).